1-[2-[8-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]imidazolidin-2-one

C25H30N4O — CID 70260624

IUPAC1-[2-[8-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]imidazolidin-2-one
SMILESCc1ccc2c(c1)c1c(n2CCc2ccccc2)CCN(CCN2CCNC2=O)C1
InChIInChI=1S/C25H30N4O/c1-19-7-8-23-21(17-19)22-18-27(15-16-28-14-11-26-25(28)30)12-10-24(22)29(23)13-9-20-5-3-2-4-6-20/h2-8,17H,9-16,18H2,1H3,(H,26,30)
InChIKeyVKDMDOSVBLUKAJ-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.58
Rot. Bonds6

About 1-[2-[8-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]imidazolidin-2-one

1-[2-[8-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]imidazolidin-2-one (PubChem CID 70260624) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-[2-[8-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[8-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]imidazolidin-2-one
PubChem CID70260624
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name1-[2-[8-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]imidazolidin-2-one
SMILESCc1ccc2c(c1)c1c(n2CCc2ccccc2)CCN(CCN2CCNC2=O)C1
InChIInChI=1S/C25H30N4O/c1-19-7-8-23-21(17-19)22-18-27(15-16-28-14-11-26-25(28)30)12-10-24(22)29(23)13-9-20-5-3-2-4-6-20/h2-8,17H,9-16,18H2,1H3,(H,26,30)
InChIKeyVKDMDOSVBLUKAJ-UHFFFAOYSA-N
XLogP3.58
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[8-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[8-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]imidazolidin-2-one (CID 70260624) is 1-[2-[8-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[8-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[8-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]imidazolidin-2-one is Cc1ccc2c(c1)c1c(n2CCc2ccccc2)CCN(CCN2CCNC2=O)C1.
What is the InChIKey of 1-[2-[8-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]imidazolidin-2-one?
The InChIKey is VKDMDOSVBLUKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-19-7-8-23-21(17-19)22-18-27(15-16-28-14-11-26-25(28)30)12-10-24(22)29(23)13-9-20-5-3-2-4-6-20/h2-8,17H,9-16,18H2,1H3,(H,26,30).
What are the key properties of 1-[2-[8-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]imidazolidin-2-one?
1-[2-[8-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]imidazolidin-2-one has a molecular weight of 402.54 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[8-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 70260624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).